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Mechanistic and Kinetic Approach on the Propargyl Radical (C(3)H(3)) with the Criegee Intermediate (CH(2)OO)

[Image: see text] The detailed reaction mechanism and kinetics of the C(3)H(3) + CH(2)OO system have been thoroughly investigated. The CBS-QB3 method in conjunction with the ME/vRRKM theory has been applied to figure out the potential energy surface and rate constants for the C(3)H(3) + CH(2)OO syst...

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Detalles Bibliográficos
Autores principales:	Pham, Tien V., Trang, Hoang T. T.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10193399/ https://www.ncbi.nlm.nih.gov/pubmed/37214685 http://dx.doi.org/10.1021/acsomega.3c00491

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